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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=92792
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Title
Temperature-dependent neutron powder diffraction study of the Ba (O D)2 polymorphs: a new low-temperature phase.
Authors
Friedrich, A.;Kunz, M.;Suard, E.
Reference
IC&volume=57&fpage=747&details=yes target=icsd_help>Acta Crystallographica B (2001)
57
, 747-758
Link
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Compound
D2 Ba1 O2
- Barium dideuteriooxide - alpha-m
[
AX2
] [
mP100
] [
e25
] [
]
Cell
7.0825(2), 10.8701(3), 16.4349(4), 90, 91.333(2), 90
P121/N1 (14)
V=1264.94
Remarks
R=0.021000 : T N
Atom (site) Oxid.
x, y, z, B, Occupancy
Ba1
(4e)
2
Ba2
(4e)
2
Ba3
(4e)
2
Ba4
(4e)
2
Ba5
(4e)
2
O1
(4e)
-2
O2
(4e)
-2
O3
(4e)
-2
O4
(4e)
-2
O5
(4e)
-2
O6
(4e)
-2
O7
(4e)
-2
O8
(4e)
-2
O9
(4e)
-2
O10
(4e)
-2
D1
(4e)
1
D2
(4e)
1
D3
(4e)
1
D4
(4e)
1
D5
(4e)
1
D6
(4e)
1
D7
(4e)
1
D8
(4e)
1
D9
(4e)
1
D10
(4e)
1
0.43
0.32
0.24
0.00
1
0.90
0.47
0.37
0.00
1
0.42
0.01
0.62
0.00
1
0.43
0.32
0.48
0.00
1
0.92
0.17
0.50
0.00
1
0.37
0.07
0.24
0.00
1.00
0.81
0.32
0.24
0.00
1.00
0.50
0.50
0.35
0.00
1.00
0.03
0.00
0.63
0.00
1.00
0.15
0.29
0.37
0.00
1.00
0.66
0.20
0.61
0.00
1.00
0.65
0.22
0.39
0.00
1.00
0.16
0.28
0.60
0.00
1.00
0.29
0.05
0.47
0.00
1.00
0.79
0.44
0.52
0.00
1.00
0.25
0.06
0.22
0.02
1
0.94
0.28
0.25
0.02
1
0.54
0.58
0.33
0.02
1
0.01
0.93
0.66
0.02
1
0.18
0.20
0.35
0.02
1
0.65
0.28
0.63
0.02
1
0.73
0.24
0.34
0.01
1
0.23
0.25
0.65
0.02
1
0.21
0.04
0.42
0.02
1
0.72
0.44
0.57
0.02
1
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